N,4,4-trimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine

C16H25N3 — CID 79750625

IUPACN,4,4-trimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
SMILESCNC(Cc1nc2ccccc2n1C)CC(C)(C)C
InChIInChI=1S/C16H25N3/c1-16(2,3)11-12(17-4)10-15-18-13-8-6-7-9-14(13)19(15)5/h6-9,12,17H,10-11H2,1-5H3
InChIKeyYWBCJZGFLVRUIJ-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.14
Rot. Bonds4

About N,4,4-trimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine

N,4,4-trimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine (PubChem CID 79750625) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N,4,4-trimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine.

Molecular Properties

Compound NameN,4,4-trimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
PubChem CID79750625
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN,4,4-trimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
SMILESCNC(Cc1nc2ccccc2n1C)CC(C)(C)C
InChIInChI=1S/C16H25N3/c1-16(2,3)11-12(17-4)10-15-18-13-8-6-7-9-14(13)19(15)5/h6-9,12,17H,10-11H2,1-5H3
InChIKeyYWBCJZGFLVRUIJ-UHFFFAOYSA-N
XLogP3.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,4,4-trimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-4,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79750698
N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79754110
N,5-dimethyl-1-(1-methylbenzimidazol-2-yl)hexan-2-amine
CID 79750546
N-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-amine
CID 105007516
5-methoxy-N-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79751232
[1-tert-butylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-yl]hydrazine
CID 105226520
1-(1-methylbenzimidazol-2-yl)-N-propylbutan-2-amine
CID 79754187
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 105007618
1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol
CID 103454668
1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 105007530
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-4-ylethanamine
CID 79750104

Frequently Asked Questions

What is the IUPAC name of N,4,4-trimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
The IUPAC name of N,4,4-trimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine (CID 79750625) is N,4,4-trimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine.
What is the SMILES notation for N,4,4-trimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
The canonical SMILES for N,4,4-trimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine is CNC(Cc1nc2ccccc2n1C)CC(C)(C)C.
What is the InChIKey of N,4,4-trimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
The InChIKey is YWBCJZGFLVRUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-16(2,3)11-12(17-4)10-15-18-13-8-6-7-9-14(13)19(15)5/h6-9,12,17H,10-11H2,1-5H3.
What are the key properties of N,4,4-trimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
N,4,4-trimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine has a molecular weight of 259.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,4-trimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine is sourced from PubChem (CID 79750625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).